2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-methoxyphenyl)acetamide
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C728-0271 |
| Compound Name: | 2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | CC(N1CCc2c3C(N(CCc4ccccc4)C(N(CC(Nc4cccc(c4)OC)=O)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8681 |
| logD: | 3.8681 |
| logSw: | -4.355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.44 |
| InChI Key: | PUUZNJCGLDTJOP-UHFFFAOYSA-N |